2-azanyl-4-[5-[(4-chloranyl-2-methyl-phenoxy)methyl]-2,4-dimethyl-phenyl]-1-(4-methoxy-2-nitro-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-[5-[(4-chloranyl-2-methyl-phenoxy)methyl]-2,4-dimethyl-phenyl]-1-(4-methoxy-2-nitro-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-[5-[(4-chloro-2-methyl-phenoxy)methyl]-2,4-dimethyl-phenyl]-1-(4-methoxy-2-nitro-phenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-[5-[(4-chloro-2-methylphenoxy)methyl]-2,4-dimethylphenyl]-1-(4-methoxy-2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-[5-[(4-chloro-2-methylphenoxy)methyl]-2,4-dimethylphenyl]-1-(4-methoxy-2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-[5-[(4-chloro-2-methyl-phenoxy)methyl]-2,4-dimethyl-phenyl]-5-keto-1-(4-methoxy-2-nitro-phenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C33H31ClN4O5 MolecularWeight: 599.07604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=C(C=C4)OC)[N+](=O)[O-])N)C#N)COC5=C(C=C(C=C5)Cl)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=C(C=C4)OC)[N+](=O)[O-])N)C#N)COC5=C(C=C(C=C5)Cl)C)C

InChI

InChI=1S/C33H31ClN4O5/c1-18-12-19(2)24(14-21(18)17-43-30-11-8-22(34)13-20(30)3)31-25(16-35)33(36)37(27-6-5-7-29(39)32(27)31)26-10-9-23(42-4)15-28(26)38(40)41/h8-15,31H,5-7,17,36H2,1-4H3